CID 819922

3-(4-acetylphenoxy)propanoic acid

Structural Information

Molecular Formula
C11H12O4
SMILES
CC(=O)C1=CC=C(C=C1)OCCC(=O)O
InChI
InChI=1S/C11H12O4/c1-8(12)9-2-4-10(5-3-9)15-7-6-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)
InChIKey
JQVGZRZJTCMBDQ-UHFFFAOYSA-N
Compound name
3-(4-acetylphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

208.07356 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 144.4
[M+Na]+ 231.06278 155.3
[M+NH4]+ 226.10738 150.8
[M+K]+ 247.03672 150.8
[M-H]- 207.06628 144.2
[M+Na-2H]- 229.04823 149.0
[M]+ 208.07301 145.6
[M]- 208.07411 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe